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5CFW
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BU of 5cfw by Molmil
Selective pharmacological inhibition of the CREB binding protein bromodomain regulates inflammatory cytokines in macrophages and RGS4 in neurons
分子名称: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazole, Bromodomain-containing protein 4
著者Chekler, E.L, Jones, L.H.
登録日2015-07-08
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Transcriptional Profiling of a Selective CREB Binding Protein Bromodomain Inhibitor Highlights Therapeutic Opportunities.
Chem.Biol., 22, 2015
7E8C
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BU of 7e8c by Molmil
SARS-CoV-2 S-6P in complex with 9 Fabs
分子名称: 368-2 H, 368-2 L, 604 H, ...
著者Du, S, Xiao, J, Zhang, Z.
登録日2021-03-01
公開日2021-06-09
最終更新日2021-07-14
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
7E8F
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BU of 7e8f by Molmil
SARS-CoV-2 NTD in complex with N9 Fab
分子名称: 368-2 H, 368-2 L, 604 H, ...
著者Du, S, Xiao, J, Zhang, Z.
登録日2021-03-01
公開日2021-06-09
最終更新日2021-07-14
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
7STI
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BU of 7sti by Molmil
Full-length insulin receptor bound with unsaturated insulin WT (1 insulin bound) asymmetric conformation
分子名称: Insulin, Insulin receptor
著者Bai, X.C, Choi, E.
登録日2021-11-13
公開日2022-03-30
最終更新日2022-04-27
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献Synergistic activation of the insulin receptor via two distinct sites.
Nat.Struct.Mol.Biol., 29, 2022
7STJ
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BU of 7stj by Molmil
Full-length insulin receptor bound with unsaturated insulin WT (2 insulins bound) asymmetric conformation (Conformation 1)
分子名称: Insulin, Insulin receptor
著者Bai, X.C, Choi, E.
登録日2021-11-14
公開日2022-03-30
最終更新日2022-04-27
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Synergistic activation of the insulin receptor via two distinct sites.
Nat.Struct.Mol.Biol., 29, 2022
7STK
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BU of 7stk by Molmil
Full-length insulin receptor bound with unsaturated insulin WT (2 insulins bound) asymmetric conformation (Conformation 2)
分子名称: Insulin, Insulin receptor
著者Bai, X.C, Choi, E.
登録日2021-11-14
公開日2022-03-30
最終更新日2022-04-27
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Synergistic activation of the insulin receptor via two distinct sites.
Nat.Struct.Mol.Biol., 29, 2022
7STH
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BU of 7sth by Molmil
Full-length insulin receptor bound with unsaturated insulin WT (2 insulin bound) symmetric conformation
分子名称: Insulin, Insulin receptor
著者Bai, X.C, Choi, E.
登録日2021-11-13
公開日2022-03-30
最終更新日2022-04-27
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Synergistic activation of the insulin receptor via two distinct sites.
Nat.Struct.Mol.Biol., 29, 2022
8CZK
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BU of 8czk by Molmil
Human LanCL1 bound to GSH and Dhb-Erk peptide
分子名称: Deb-Erk peptide, GLUTATHIONE, Glutathione S-transferase LANCL1, ...
著者Ongpipattanakul, C, Nair, S.K.
登録日2022-05-24
公開日2023-01-25
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献The mechanism of thia-Michael addition catalyzed by LanC enzymes.
Proc.Natl.Acad.Sci.USA, 120, 2023
8D19
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BU of 8d19 by Molmil
Human LanCL1 bound to GSH
分子名称: GLUTATHIONE, Glutathione S-transferase LANCL1, ZINC ION
著者Ongpipattanakul, C, Nair, S.K.
登録日2022-05-26
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献The mechanism of thia-Michael addition catalyzed by LanC enzymes.
Proc.Natl.Acad.Sci.USA, 120, 2023
8CZL
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BU of 8czl by Molmil
Human LanCL1 bound to methyl glutathione (MeGSH)
分子名称: Glutathione S-transferase LANCL1, L-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINE, ZINC ION
著者Ongpipattanakul, C, Nair, S.K.
登録日2022-05-24
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献The mechanism of thia-Michael addition catalyzed by LanC enzymes.
Proc.Natl.Acad.Sci.USA, 120, 2023
8D0V
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BU of 8d0v by Molmil
Human LanCL1 C264A mutant bound to GSH
分子名称: GLUTATHIONE, Glutathione S-transferase LANCL1, ZINC ION
著者Ongpipattanakul, C, Nair, S.K.
登録日2022-05-26
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献The mechanism of thia-Michael addition catalyzed by LanC enzymes.
Proc.Natl.Acad.Sci.USA, 120, 2023
8DL5
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BU of 8dl5 by Molmil
Crystal structure of PLP-dependent Mannich cyclase LolT
分子名称: Aminotransferase, class V/Cysteine desulfurase, GLYCEROL
著者Gao, J, Hai, Y.
登録日2022-07-06
公開日2023-06-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A pyridoxal 5'-phosphate-dependent Mannich cyclase.
Nat Catal, 2023
8DSO
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BU of 8dso by Molmil
Structure of cIAP1, BTK and BCCov
分子名称: (4S)-4-[2-(2-{4-[(2E)-4-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}-4-oxobut-2-en-1-yl]piperazin-1-yl}ethoxy)acetamido]-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide bound form, Baculoviral IAP repeat-containing protein 2, Tyrosine-protein kinase BTK, ...
著者Schiemer, J.S, Calabrese, M.F.
登録日2022-07-22
公開日2023-03-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.334 Å)
主引用文献A covalent BTK ternary complex compatible with targeted protein degradation.
Nat Commun, 14, 2023
8DSF
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BU of 8dsf by Molmil
Structure of cIAP1 with BCCov
分子名称: (4S)-4-[2-(2-{4-[(2E)-4-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}-4-oxobut-2-en-1-yl]piperazin-1-yl}ethoxy)acetamido]-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide unbound form, Baculoviral IAP repeat-containing protein 2, ZINC ION
著者Schiemer, J.S, Calabrese, M.F.
登録日2022-07-22
公開日2023-03-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A covalent BTK ternary complex compatible with targeted protein degradation.
Nat Commun, 14, 2023
7KPY
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BU of 7kpy by Molmil
Crystal structure of CBP bromodomain liganded with UMB298 (compound 23)
分子名称: 1,2-ETHANEDIOL, 2-[2-(3-chloranyl-4-methoxy-phenyl)ethyl]-~{N}-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine, Histone acetyltransferase
著者Schonbrunn, E, Bikowitz, M.
登録日2020-11-12
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Development of Dimethylisoxazole-Attached Imidazo[1,2- a ]pyridines as Potent and Selective CBP/P300 Inhibitors.
J.Med.Chem., 64, 2021
8FBF
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BU of 8fbf by Molmil
Crystal structure of OrfX2 from Clostridium botulinum E1
分子名称: Neurotoxin complex component Orf-X2, SULFATE ION
著者Lam, K.H, Gao, L.
登録日2022-11-29
公開日2022-12-21
最終更新日2023-03-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structures of OrfX1, OrfX2 and the OrfX1-OrfX3 complex from the orfX gene cluster of botulinum neurotoxin E1.
Febs Lett., 597, 2023
7E7Y
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BU of 7e7y by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-623 Fab
分子名称: BD-623 Fab H, BD-623 Fab L, Spike protein S1
著者Wei, Y, Xiao, J.
登録日2021-02-28
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
7E7X
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BU of 7e7x by Molmil
SARS-CoV-2 Spike Protein N terminal domain in Complex with N11 Fab
分子名称: N11 Fab Light chain, N11 Fab heavy chain, Spike protein S1
著者Zhang, Z, Shuo, D, Xiao, J.
登録日2021-02-28
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
7E88
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BU of 7e88 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-515 Fab
分子名称: BD-515 Fab Heavy Chain, BD-515 Fab Light Chain, Spike protein S1
著者Gao, C, Wei, Y, Xiao, J.
登録日2021-03-01
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
7E86
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BU of 7e86 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-508 Fab
分子名称: BD-508 Fab Heavy Chain, BD-508 Fab Light Chain, Spike protein S1
著者Gao, C, Xiao, J.
登録日2021-03-01
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
6BFG
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BU of 6bfg by Molmil
Crystal structure of monotopic membrane protein (S)-mandelate dehydrogenase
分子名称: (S)-mandelate dehydrogenase, 1,2-ETHANEDIOL, CITRIC ACID, ...
著者Sukumar, N.
登録日2017-10-26
公開日2018-08-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of the monotopic membrane protein (S)-mandelate dehydrogenase at 2.2 angstrom resolution.
Biochimie, 154, 2018
5YQN
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BU of 5yqn by Molmil
Crystal structure of Sirt2 in complex with selective inhibitor L55
分子名称: DI(HYDROXYETHYL)ETHER, N-[3-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide, NAD-dependent protein deacetylase sirtuin-2, ...
著者Wang, H, Yu, Y, Li, G, Chen, Q.
登録日2017-11-07
公開日2018-10-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells.
Eur J Med Chem, 155, 2018
5YQO
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BU of 5yqo by Molmil
Crystal structure of Sirt2 in complex with selective inhibitor L5C
分子名称: N-[4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION
著者Wang, H, Yu, Y, Li, G, Chen, Q.
登録日2017-11-07
公開日2018-10-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.483 Å)
主引用文献X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells.
Eur J Med Chem, 155, 2018
5YQL
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BU of 5yql by Molmil
Crystal structure of Sirt2 in complex with selective inhibitor A2I
分子名称: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenoxymethyl)phenyl]ethanamide, BETA-MERCAPTOETHANOL, NAD-dependent protein deacetylase sirtuin-2, ...
著者Wang, H, Yu, Y, Li, G, Chen, Q.
登録日2017-11-07
公開日2018-10-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells.
Eur J Med Chem, 155, 2018
5YQM
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BU of 5yqm by Molmil
Crystal structure of Sirt2 in complex with selective inhibitor A29
分子名称: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenylsulfanylphenyl)ethanamide, BETA-MERCAPTOETHANOL, NAD-dependent protein deacetylase sirtuin-2, ...
著者Wang, H, Yu, Y, Li, G, chen, Q.
登録日2017-11-07
公開日2018-10-17
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.735 Å)
主引用文献X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells.
Eur J Med Chem, 155, 2018

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